CID 937501

2-(pyrrolidin-1-yl)aniline

Structural Information

Molecular Formula

C₁₀H₁₄N₂

SMILES

C1CCN(C1)C2=CC=CC=C2N

InChI

InChI=1S/C10H14N2/c11-9-5-1-2-6-10(9)12-7-3-4-8-12/h1-2,5-6H,3-4,7-8,11H2

InChIKey

BFPUBGCFJMIZDF-UHFFFAOYSA-N

Compound name

2-pyrrolidin-1-ylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 279
Patents: 162.11569 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	163.122966	134.6
[M+Na]+	185.104908	140.9
[M-H]-	161.108414	139.2
[M+NH4]+	180.149513	155.0
[M+K]+	201.078848	138.0
[M+H-H2O]+	145.112950	127.3
[M+HCOO]-	207.113891	157.4
[M+CH3COO]-	221.129541	147.5
[M+Na-2H]-	183.090356	139.0
[M]+	162.11514142	129.3
[M]-	162.11623858	129.3

Literature stripe

literature stripe

Patent stripe

patents stripe